BDBM1434 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::BI-RG-587::CHEMBL57::Nevirapine::Nevirapine (NVP)::US11420959, Example NVP::Viramune

SMILES: Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

InChI Key: InChIKey=NQDJXKOVJZTUJA-UHFFFAOYSA-N

Data: 32 KI  260 IC50  41 EC50  1 ITC

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 333 hits for monomerid = 1434   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.8	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.8	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	8.3	28
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	101	n/a	n/a	n/a	n/a	8.2	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	8.2	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	8.2	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	8.3	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus 2)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	640	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	270	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	700	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.9	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	8.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	7.8	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.8	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.8	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1159,Y780C]/Imidazoleglycerol-phosphate dehydratase [600-1029,Y780C] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [600-1159,L699I,K702N,C879S] (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 2)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	7.8	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 1434

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Reverse transcriptase (HIV-1 RT)(1-350) (Human immunodeficiency virus type 1)	BDBM1434 (BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...)	GoogleScholar			-30.1	4.04	-47.1	n/a	n/a	25
TBA					Details of this binding reaction