Compile Data Set for Download or QSAR
Found 37 of affinity data for UniProtKB/TrEMBL: Q99828
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572352(CHEMBL4872793)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 9nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572354(CHEMBL5027915)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 9nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572342(CHEMBL4847488)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)O)[C@@H](C)O
Affinity DataIC50: 12nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572324(CHEMBL4879386)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 12nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572343(CHEMBL4875466)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)[C@@H](C)CC)C(N)=O)[C@@H](C)O)[C@@H](C)O
Affinity DataIC50: 15nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572349(CHEMBL4851034)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 15nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572353(CHEMBL4851160)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 40nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572331(CHEMBL4846980)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 51nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572341(CHEMBL4874071)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 54nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572337(CHEMBL4869011)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)C(N)=O
Affinity DataIC50: 59nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572330(CHEMBL4854255)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 59nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572344(CHEMBL4851775)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[C@@H](C)O
Affinity DataIC50: 65nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572333(CHEMBL4871134)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O
Affinity DataIC50: 67nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572334(CHEMBL4865306)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O)[C@@H](C)CC)C(N)=O
Affinity DataIC50: 72nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572347(CHEMBL4852205)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O)C(N)=O
Affinity DataIC50: 76nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572348(CHEMBL4864176)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)C(N)=O
Affinity DataIC50: 170nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572338(CHEMBL4872183)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)C(CCC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 190nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572339(CHEMBL4861668)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC1=O)C(N)=O
Affinity DataIC50: 190nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572327(CHEMBL4860806)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@@H](N)CC(=O)NC1=O)C(N)=O
Show InChI InChI=1S/C77H99N15O16S3/c1-5-42(4)66-76(107)90-64(96)36-51(79)68(99)85-57(34-45-37-110-61-17-8-6-13-49(45)61)73(104)89-59(67(81)98)39-109-40-65(97)82-55(32-43-19-23-47(93)24-20-43)70(101)83-52(15-10-11-29-78)69(100)84-53(27-28-63(80)95)77(108)92-30-12-16-60(92)75(106)88-56(33-44-21-25-48(94)26-22-44)71(102)87-58(35-46-38-111-62-18-9-7-14-50(46)62)72(103)86-54(31-41(2)3)74(105)91-66/h6-9,13-14,17-26,37-38,41-42,51-60,66,93-94H,5,10-12,15-16,27-36,39-40,78-79H2,1-4H3,(H2,80,95)(H2,81,98)(H,82,97)(H,83,101)(H,84,100)(H,85,99)(H,86,103)(H,87,102)(H,88,106)(H,89,104)(H,91,105)(H,90,96,107)/t42-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
Affinity DataIC50: 230nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572326(CHEMBL4855095)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O
Affinity DataIC50: 300nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572350(CHEMBL4869651)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 430nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572351(CHEMBL4849368)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 470nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572325(CHEMBL4860058)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O)C(N)=O
Affinity DataIC50: 820nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572336(CHEMBL4853292)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(C)C)NC1=O)[C@@H](C)CC)C(N)=O
Affinity DataIC50: 840nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572328(CHEMBL4851142)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC1=O)[C@@H](C)CC)C(N)=O
Affinity DataIC50: 1.50E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572332(CHEMBL4867763)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 1.80E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572329(CHEMBL4860554)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C1=O)C(N)=O
Affinity DataIC50: 1.80E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572355(CHEMBL4850156)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 2.50E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572335(CHEMBL4877672)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccco2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)C(N)=O
Affinity DataIC50: 3.90E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572340(CHEMBL4858504)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC1=O)C(N)=O
Affinity DataIC50: 4.20E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572346(CHEMBL4855813)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataIC50: 7.10E+3nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572345(CHEMBL4849089)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(N)=O
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572356(CHEMBL4872329)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O
Affinity DataIC50: 4.60E+4nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572357(CHEMBL4863344)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O
Affinity DataIC50: 1.50E+5nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572358(CHEMBL4848001)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C146H248ClN53O40S/c1-80(2)70-101(136(234)179-81(3)118(216)175-74-109(153)205)196-120(218)83(5)180-124(222)89(30-13-17-54-148)185-135(233)99(52-69-241-7)184-119(217)82(4)178-113(209)78-177-122(220)102(72-86-40-42-87(202)43-41-86)197-121(219)84(6)181-137(235)103(71-85-28-11-10-12-29-85)198-138(236)105(79-201)183-115(211)77-174-112(208)75-176-123(221)104(73-117(214)215)199-134(232)98(46-51-116(212)213)193-133(231)97(45-48-108(152)204)194-139(237)106-39-27-64-200(106)140(238)100(38-26-62-172-146(164)165)195-131(229)95(37-25-61-171-145(162)163)190-129(227)93(35-23-59-169-143(158)159)191-132(230)96(44-47-107(151)203)192-130(228)94(36-24-60-170-144(160)161)189-128(226)92(34-22-58-168-142(156)157)188-127(225)91(32-15-19-56-150)187-126(224)90(31-14-18-55-149)186-125(223)88(33-21-57-167-141(154)155)182-114(210)76-173-111(207)50-49-110(206)166-63-66-240-68-67-239-65-20-9-8-16-53-147/h10-12,28-29,40-43,80-84,88-106,201-202H,8-9,13-27,30-39,44-79,148-150H2,1-7H3,(H2,151,203)(H2,152,204)(H2,153,205)(H,166,206)(H,173,207)(H,174,208)(H,175,216)(H,176,221)(H,177,220)(H,178,209)(H,179,234)(H,180,222)(H,181,235)(H,182,210)(H,183,211)(H,184,217)(H,185,233)(H,186,223)(H,187,224)(H,188,225)(H,189,226)(H,190,227)(H,191,230)(H,192,228)(H,193,231)(H,194,237)(H,195,229)(H,196,218)(H,197,219)(H,198,236)(H,199,232)(H,212,213)(H,214,215)(H4,154,155,167)(H4,156,157,168)(H4,158,159,169)(H4,160,161,170)(H4,162,163,171)(H4,164,165,172)/t81-,82-,83-,84-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-/m0/s1
Affinity DataIC50: 1.00E+7nMAssay Description:Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572324(CHEMBL4879386)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Affinity DataKd:  6nMAssay Description:Binding affinity to full length CIB1 (unknown origin) at 300 uM by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCalcium and integrin-binding protein 1(Homo sapiens)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50572356(CHEMBL4872329)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O
Affinity DataKd:  29nMAssay Description:Binding affinity to full length CIB1 (unknown origin) at 300 uM by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid