BDBM17298 4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclopropyl]-1H-1,3-benzodiazol-2-yl}methyl)amino]benzene-1-carboximidamide::BIBM1015

SMILES: Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1

InChI Key: InChIKey=HGNSKHRWYAJRBQ-UHFFFAOYSA-N

Data: 8 KI  1 IC50

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 9 hits for monomerid = 17298   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15	-11.1	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-10.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	102	-9.91	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.50E+3	-7.36	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.20E+3	-7.21	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	-6.93	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	>-6.41	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	>-6.24	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM17298 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N6O/c1-29-20-9-6-17(24(10-11-24)23(31)30-12-2-3-13-30)14-19(20)28-21(29)15-27-18-7-4-16(5-8-18)22(25)26/h4-9,14,27H,2-3,10-13,15H2,1H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of factor-10a (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair